| Entry |
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| Name |
Estradiol hemihydrate;
Estrasorb (TN);
Vagifem (TN) |
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| Product |
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| Generic |
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| Formula |
(C18H24O2)2. H2O
|
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| Exact mass |
562.3658
|
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| Mol weight |
562.7792
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| Structure |
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| Simcomp |
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| Class |
Hormonal agent
DG01986 Estrogen
DG01584 Estrogen receptor agonist
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
|
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| Remark |
| Product (DG00462): | D00105<JP/US> D01413<JP/US> D04061<US> D04063<US> D07918<US> |
| Product (mixture): | D12226<US> D12497<US> |
|
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| Efficacy |
Menstruation disorder agent, Estrogen receptor agonist |
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| Comment |
Estrogen
|
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| Target |
|
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| Pathway |
|
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| Metabolism |
Enzyme: CYP3A4 [HSA: 1576]
|
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| Interaction |
|
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| Structure map |
| map07226 | Progesterone, androgen and estrogen receptor agonists/antagonists |
|
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| Brite |
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
G GENITO URINARY SYSTEM AND SEX HORMONES
G03 SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G03C ESTROGENS
G03CA Natural and semisynthetic estrogens, plain
G03CA03 Estradiol
D07918 Estradiol hemihydrate <US>
USP drug classification [BR:br08302]
Hormonal Agents, Stimulant/Replacement/Modifying (Sex Hormones/Modifiers)
Estrogens
Estradiol
D07918 Estradiol hemihydrate
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
D07918 Estradiol hemihydrate
DG01584 Estrogen receptor agonist
DG00462 Estradiol
D07918 Estradiol hemihydrate
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
D07918 Estradiol hemihydrate
Drug classes [BR:br08332]
Endocrine and hormonal agent
DG01986 Estrogen
D07918 Estradiol hemihydrate
DG01584 Estrogen receptor agonist
D07918 Estradiol hemihydrate
Target-based classification of drugs [BR:br08310]
Nuclear receptors
Estrogen like receptors
Estrogen receptor
NR3A (ESR)
D07918 Estradiol hemihydrate <US>
Drug metabolizing enzymes and transporters [br08309.html]
Drug metabolizing enzymes
D07918
Drug groups [BR:br08330]
Hormonal agent
DG01986 Estrogen
DG00462 Estradiol
DG01584 Estrogen receptor agonist
DG00462 Estradiol
Metabolizing enzyme substrate
DG01633 CYP3A/CYP3A4 substrate
DG02913 CYP3A4 substrate
DG00462 Estradiol
|
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| Other DBs |
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| KCF data |
ATOM 41
1 C1y C 27.3000 -19.4600
2 C1y C 26.1100 -20.0900
3 C1z C 27.3000 -18.0600
4 C1x C 29.6100 -19.4600
5 C1y C 24.9200 -19.3900
6 C1x C 26.1100 -21.4900
7 C1x C 26.1100 -17.3600
8 C1y C 28.4900 -17.4300
9 C1a C 27.3000 -16.7300
10 C1x C 29.6100 -18.1300
11 C8y C 23.7300 -20.0900
12 C1x C 24.9200 -18.0600
13 C1x C 24.9200 -22.1200
14 O1a O 28.4900 -16.0300
15 C8y C 23.7300 -21.4900
16 C8x C 22.5400 -19.3900
17 C8x C 22.5400 -22.1200
18 C8x C 21.3500 -20.0900
19 C8y C 21.3500 -21.4900
20 O1a O 20.1600 -22.1200
21 O0 O 34.8600 -18.9700
22 C1y C 27.3000 -19.4600
23 C1y C 26.1100 -20.0900
24 C1y C 24.9200 -19.3900
25 C8y C 23.7300 -20.0900
26 C8y C 23.7300 -21.4900
27 C8x C 22.5400 -22.1200
28 C8y C 21.3500 -21.4900
29 O1a O 20.1600 -22.1200
30 C8x C 21.3500 -20.0900
31 C8x C 22.5400 -19.3900
32 C1x C 24.9200 -22.1200
33 C1x C 26.1100 -21.4900
34 C1x C 24.9200 -18.0600
35 C1x C 26.1100 -17.3600
36 C1z C 27.3000 -18.0600
37 C1y C 28.4900 -17.4300
38 O1a O 28.4900 -16.0300
39 C1x C 29.6100 -18.1300
40 C1x C 29.6100 -19.4600
41 C1a C 27.3000 -16.7300
BOND 46
1 1 2 1
2 1 3 1
3 1 4 1
4 2 5 1
5 2 6 1
6 3 7 1
7 3 8 1
8 3 9 1 #Up
9 4 10 1
10 5 11 1
11 5 12 1
12 6 13 1
13 8 14 1 #Up
14 11 15 2
15 11 16 1
16 15 17 1
17 16 18 2
18 17 19 2
19 19 20 1
20 7 12 1
21 8 10 1
22 13 15 1
23 18 19 1
24 22 23 1
25 22 36 1
26 22 40 1
27 23 24 1
28 23 33 1
29 36 35 1
30 36 37 1
31 36 41 1 #Up
32 40 39 1
33 24 25 1
34 24 34 1
35 33 32 1
36 37 38 1 #Up
37 25 26 2
38 25 31 1
39 26 27 1
40 31 30 2
41 27 28 2
42 28 29 1
43 35 34 1
44 37 39 1
45 32 26 1
46 30 28 1
BRACKET 1 18.2000 -23.0300 18.2000 -13.6500
1 30.4500 -13.6500 30.4500 -23.0300
1 2
ORIGINAL 1 1 2 5 11 15 17 19 20 18 16 13 6 12 7 3 8
1 14 10 4 9 23 22 21
REPEAT 1 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40
1 41 42 43 44 45 46 47
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